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By Jamil M. Khalifeh, Shadia J. Ikhmayies, Bothina A. Hamad

"The structural and electronic properties of cubic d -NbN are investigated using density functional theory (DFT) and all-electron full potential linearized augmented plane wave method (FPLAPW). The equilibrium structural parameters are determined by fitting the total energy as a function of volume to the Murnaghan's equation of state. We calculated the total and partial densities of states (DOS) and compared them with those computed by different authors. Our DOS at Fermi level is found to be very close to the experimental value. The band structure is computed, discussed and used to find the characteristic energy separations. Valence electron density contours are recorded and discussed. We deduced the partial charge densities of different bands and binding energies of valence core levels and compared them with experimental and theoretical results obtained by different authors.IntroductionNiobium nitride has been intensively investigated over the last decades because of its interesting physical properties and technological applications (superconducting microdevices, microelectronic, catalytic probes, and hard coatings) [l]. While the group IV transition metal nitrides (TMN) mainly crystallize in the cubic NaCl structure (Bl type), those of group V and VI nitrides occur as different phases. Thus for niobium nitride, many phases have been reported in the literature: cubic fcc d -NbN, tetragonal ? -Nb4N3, hexagonal d -NbN, hexagonal e -NbN, and low nitrogen content hexagonal ß -Nb2N [l, 2].Structural and electronic properties of niobium nitride were investigated theoretically and experimentally by many authors. For example, in 1975 Schwarz [3] obtained the partial density of states for NbC and NbN from APW band structure calculations. In 1975 Kallne and Pessa [4] studied the electronic structure of Nb, NbC and NbN by using X-ray emission. In 2003 Amriou et al. [5] studied the electronic structure and bonding mechanism of NbC and NbN compounds using first principle total energy calculations using the full-potential linearized augmented plane wave method. Also in 2006 Sanjines et. al [l] studied the electronic structure of the hexagonal~Nb2N, hexagonal' d -NbN, and cubic d -NbN thin fihns by using X-ray photoemission spectroscopy. They [l] also calculated the densities of states for these phases and used them in the interpretation of the experimental valance band spectra. Most of these studies are old and there is a need for more recent studies. According to our knowledge, there are little comprehensive theoretical studies on this subject by using FP-LAPW method [5], which proved its ability to give accurate results. In this work we used the FP-LAPW method to study the structural and electronic properties of the cubic (fee) o-NbN (space group Fm-3m, prototype NaCl) crystal."

Jan 1, 2013

By T. Innmi

The potential of the nickel matte anode was measured during the matte electrolysis in the commercial cell. The slime layer consists of elemental sulfur and was found to greatly influence the potential of anode. The measurements of porosity and permeability of the slime suggest that the voltage drop of the slime layer dominates the potential. Furthermore, the diffusion of the electrolyte through the slime layer is also one of the factors to determine the potential. In addition, the copper content of the nickel matte anode was found to affect the change in the anode potential during the electrolysis. The role of copper on the anodic dissolution of nickel matte is discussed in this work.

Jan 1, 1988

By Jing Zhang, Chenguang Bai, Fusheng Pan

"The microstructure and hot deformation behaviour of an Er-modified Mg-Zn-Ai alloy were evaluated. The results showed that the addition of rare-earth Er changed the morphology of the quasi-continuous grain boundary networked eutectic compound to globular particles. Moreover, a self-strengthening effect was identified for the alloy, which determined its deformation behavior. After hot extrusion, the yield strength and elongation to failure of the Mg-Zn-AI-Re alloy at 200°C were increased by 105% and 120%, respectively, due to an emerged dynamic precipitation strengthening mechanism.IntroductionMagnesium alloys are attracting increasing attention for applications in automobile, electronic devices and hand tools for weight reduction and higher fuel efficiency, because of their lightweight and a high specific strength. However, application of Mg is still very limited. The largest applications are still those non load-bearing castings used at room temperature, such as box case, housing, and covering. One of the main reasons is the inadequate absolute strength both at room temperature and elevated temperatures (> 100°C) of the commercially used AZ, AM series alloys, due to the incoherent interface between the secondary phase y-Mg17AI12 and Mg matrix, as well as the low thermal-stability of the y phase [1]. Besides, the heat-resistant magnesium alloys which contain rare earth (Re) as the main alloying element are very expensive. The other reason is their poor deformability. The key solution is therefore to develop low-cost heat -resistant wrought alloys."

Jan 1, 2012

By Masafumi Maeda

Our aim in this project was to develop a new copper refining technology utilizing pyrometallurgical treatment and a raw materials preparation technique. In the recycling process; raw material is not an idealized concentrate of copper sulfide but is composed of various types of scrap, industrial wastes such as sludge, ash and slag, and municipal wastes. Since we cannot expect oxidation heat in this process as in sulfide smelting, organic materials are viewed as an alternative energy source. Quality of the copper produced is targeted as 99.99% and an intermediate grade will also be marketable. To benefit the plant, rare metals and other nonferrous metals will also be recovered The overall system is described in this paper, specific topics outlined and preliminary research presented. Current Japanese technology for recycling copper based materials is briefly reviewed.

Jan 1, 1995

Aluminum has experienced significant growth in automotive applications over the last decade as a result of its properties and performance attributes. Looking to the future, the opportunities for continued growth in powertrain and suspension applications plus light weighting of body structures offer the potential for considerable further growth. This represents a growing "energy bank" of aluminum that will become available for recycling at the end of these vehicles' lives. Today, around 90% of the aluminum is recovered and recycled from scrapped vehicles because of its high value relative to other materials. The future growth offers opportunity for new technology and practices, to maximize scrap quality and recycling application. This paper will review the demand for these new technologies and practices and will discuss industry activities being pursued in this area.

Jan 1, 2000

By Sheng-hai Yang

The electrochemical synthesis was conducted in anhydrous ethanol solvent mixed with conductive reagent when tantalum plate was used as anode and stainless steel plate as cathode. The effects of different conductive reagents (such as NH4Br, (CH3)4NCl, (C4H9)4NCl), conductive reagent concentration and the space on the cell voltage and the current density were investigated. The current efficiency of electrosynthesis was more than 95%. The electrolyte, a mixed solution was then undergone air distillation and vacuum distillation to get the final product which was characterized by Fourier Transform Infrared(FTIR) spectroscopy, Raman spectra, 1H-Neclear Magnetic Resonance(1H-NMR) spectroscopy. Carbon and hydrogen contents in the product were determined by elemental analysis instrument. Results consistently show that the product was tantalum penta-ethoxide.

Jan 1, 2006

By R J. Singh, E. Z. Chacko, Devilal, S. K. Jha, Rina Sahu, Sheshank Shekhar

"Breakouts are one of the biggest problems encountered during continuous casting of steel billets. Billets get cracked locally or break completely in two parts during solidification causing the liquid part of the partially solidified billet to empty inside the cooling chamber. Proper control of important parameters is necessary to avoid break outs during continuous casting. In the present work, the nature of the break outs at a billet caster at Tata Steel was studied. Data analysis was also done for certain casting parameters and the Sulphur tracer test was conducted to understand solidification in the mould. It was found that to reduce the occurrence of break outs, it was necessary to tune the operations based on the grade being cast and the design of the mould tube being used.IntroductionA break out during the continuous casting process is a rupture of the partially solidified shell inside the secondary cooling chamber, causing the contained liquid steel to spill out. In the mid 1970s while continuous casting technology was still in early stage of development, causes of breakouts was not well understood. Today, with technological development much has been understood about breakouts but, most of the understanding has been in the slab casting process wherein due to the higher level of instrumentation, a lot of information has been gained. In billet casting however, due to the geometry of the mould housing with the tube mould, multiplied by the complexity of the multiple strands, instrumentation has not been used and obtaining data for analysis has been difficult.Breakouts at billet casters are still the main hindrances to production. A break out results in a loss in production since the strand which has had a break out is now not available to produce and thus a six strand caster would be reduced to a five strand caster, increasing the time for casting the same tonnage. Additionally extra set up time is required as more often than not a mould change is required in order to have the strand casting again."

Jan 1, 2014

Based on experimental and computer simulation results from our group, we report a systematic, atomic level analysis of carbon dissolution from carbonaceous materials in molten iron. Experimental results on graphite / Fe-C-S system were obtained using carbon dissolution studies, XRD and FESEM investigations and were supplemented with Monte Carlo simulations. Three basic mechanisms, namely carbon atom dissociation rate, interfacial phenomena and mass transfer in the melt were found to be responsible for the overall dissolution process. While mass transfer in the melt is governed by the concentration gradients, melt composition and temperature; impurities present in ash play a significant role in the interfacial phenomena. For less ordered forms of carbonaceous materials, carbon atom dissociation rate depends strongly on the degree of long-range order and is an important rate controlling mechanism in the overall dissolution process. A systematic comparison of dissolution rates for a variety of coal-chars, natural and synthetic graphites has been carried out in an attempt to identify rate-controlling mechanisms. The structure of the carbonaceous material appears to be an important underlying factor in the carbon dissolution process.

Jan 1, 2003

By D. G. Schmidt

Tests were conducted on C86200 high-strength yellow brass in order to ascertain the effect of a low level of nickel on the mechanical properties on this alloy. A series of two alloys was studied, one of which had a nickel content of 0.85% and the other with <0.05% nickel. Copper and aluminum content ranged from 62.5% to 64% and 3.2% to 4.6%, respectively. When compared by zinc equivalents, a nickel addition of 0.75% in high-strength yellow brass does not act like copper but raises the tensile strength, 0.5% yield strength and BHN while lowering the elongation.

Jan 1, 1999

By Jay R. Hitchings

A technique that enables excellent color photograph production from black and white negatives of electron microprobe x-ray images is described in this paper. The photographs are made by superimposing one, two or three negatives of black and white x-ray images individually through assigned primary color filters directly onto color print paper. When used to examine metallurgical or geological microstructures, the resulting color photograph provides detailed, qualitative information about spatial arrangements, elemental associations and relative concentrations of at least three elements. The technique is simple and straightforward, requiring only standard darkroom equipment. The use of color to display or present complicated microprobe data also allows a non-technical reader or audience to better understand the data.

Jan 1, 1981

By Peter A. Spencer

Bacterial oxidation technology has the ability to selectively attack sulphide minerals. Selectivity allows oxidation of more reactive minerals and the extraction of valuable metals while leaving the bulk of the sulphide component unreacted. Partial oxidation can be used on arsenopyrite to recover gold and for the leaching of base metals, such as copper and nickel, from pyritic ore and concentrate without generation of large quantities of acidic iron solution, which must be neutralized. Thus, rejection of pyrite during the oxidation process can considerably reduce treatment costs. Acid generation in tailings dams would be minimal, compared with most Thiobacillus cultures, as the optimum growth temperature of Bactechts culture is above ambient.

Jan 1, 1992

By K. Yarnaguchi

In the Mitsubishi Continuous Copper Converting Furnace, calcium femte slag is used. Due to its extremely high basicity, the improvement of corrosion resistance of the refractory lining is in need. In order to clarify the corrosion mechanism and to search for a new corrosion resistant material, first, the surface snuctures of bricks corroded in molten slags were observed by EPMA. Second, the dissolution behaviors of sintered MgO-based pellets containing various oxide additives were examined. It was found that the formation and the dissolution of magnesiofemte at the surface of the bricks play an important role in their corrosion and an addition of NiO, Mn02, or Ti02 to MgO is effective in stabilizing the magnesio-femte and improving the corrosion resistance of MgO.

Jan 1, 1994

By R. G. Robins

Metal separations based on the selective precipitation of phosphates have a potential application in many hydrometallurgical processes. This paper reviews the literature on the solubility of a number of both divalent and trivalent metal phosphates and presents the result of some additional experimental measurements. The systems examined have been modelled to obtain free energy of formation data for the various species. Computer generated solubility diagrams which are described can be useful in predicting a variety of metal separations.

Jan 1, 1991

By R. A. Sharma

Neodymium metal was successfully produced by the reduction of Nd203 with Na in the presence of CaC12-NaCl melts by the overall reduction reaction Nd203 + 3 CaC12 + 6 Na ? 2 Nd + 3 CaO + 6 NaCl at -750°C. The metal produced was extracted from the salt media by dissolving it in a Nd-Fe alloy pool. The yield (percentage of theoretical neodymium produced) was found to depend on the salt composition and the mass ratio of salt to neodymium in the reactor. A yield of 95% was obtained with salt ratios as low as 3.5. Further decrease in the salt ratio below 3.25 decreased the yield. Stirrer position had little effect on yield; while increasing the temperature and placing fins in the reactor increased the yield. The Nd-Fe alloy produced was of as good quality as that produced using Ca reductant, and was suitable for direct use in producing General Motors MAGNEQUENCH? alloy for permanent magnets.

Jan 1, 1989

By Xueqin Li, Xuewei Lv, Yu Zhang, Wenchao He

In recent years, a new process of “direct reduction-electric furnace smelting separation” has been put forward and developed for recovering the iron, vanadium, titanium and chromium to make full use of the chromium-bearing vanadium titanium magnetite. In the present work, FactSage, one of the most frequently-used thermodynamic calculation software, was used to calculate the migration of Fe, V, Cr and Ti with different nC/nO (mole ratio of carbon and oxygen). The calculation results indicate that the recoveries of Fe, V and Cr increase with increasing nC/nO and temperature respectively. In addition, the recoveries of Fe, V and Cr are up to 90% when the nC/nO value is more than 1.15.

Mar 1, 2018

By K. C. Chou

The surface effect is one of fundamental topics in physical chemistry that has been studied over decades. However, its effect has been neglected in metallurgy researches and industry applications in the past years. With the progress of science and technology in metallurgy, the consideration of surface effect to the metallurgical processes has been paid more and more attention. In this report, it is shown that, how this factor affects the physicochemical properties of metallurgical processes and how to derive some new and more correct theoretical formulae for its application. Besides, some new technique related to the application of this factor in the experiment has also been developed for both fundamental research and industry applications. It is hoped that these progresses will promote some new developments both in fundamental and industrial applications for metallurgy processes.

Mar 1, 2017

By Alessandro Blasi, Massimo Morgana, Corradino Sposato, Pietro Garzone, Giuseppe Devincenzis

A comparison among (2-ethylhexyl)-mono (2-ethylhexyl) ester Phosphonic acid (P507), Secondary-octyl phenoxy acetic acid (CA-12) and Bis(2,4,4-trimethylpentyl) phosphinic acid (Cyanex272), in heavy rare earths separation via hydrometallurgical processes has been investigated. The separation coefficients, , were obtained and the extraction selectivity has been evaluated using a mixture of heavy rare earths from Samarium to Ytterbium. The experimental results indicated that P507 and Cyanex 272 display a greater affinity for heavier rare earths while CA12 proved to be more effective for the lighter rare earth metals.

Jan 1, 2014

By K. Santowski, S. B. Breyner, T. Prietl

"The material properties of alumina products can be significantly improved by adding Cr203 containing raw materials. Cr203 and Alz03 form an alumina-chromia solid solution during firing, reducing the solution potential when in contact with acidic slags. During service, both a high chemical and high thermomechanical load are present for example in the tuyere zones and taphole areas of metallurgical vessels. For such applications conventional alumina-chromia products suffer from discontinuous spalling as a result of high and frequent thermal shock. Therefore, alumina-chromia materials were developed that exhibit improved thermal shock resistance, compared to the standard products, combined with sufficient corrosion resistance. Laboratory tests evaluated the physical properties of the newly developed alumina-chromia grades and a field test in a Peirce-Smith copper converter demonstrated that the material properties meet the corrosion and thermal shock resistance required for this application. IntroductionTo develop refractory products tailored to specific service conditions it is important to have a profound knowledge of the metallurgical processes and furnace conditions [l]. This enables the specific refractory consumption to be minimized and increases the overall operational efficiency. Economic considerations such as steadily increasing energy and resource costs have resulted in companies investing in recycling processes. In the base metal industry for example, recycling operations involve modifications to the smelter feed, process conditions and chemical composition of the process slags. This adversely affects the performance of standard linings and drives refractory producers to search for material innovations."

Jan 1, 2013

By J. W. Ahlrichs

In gold exploration and metallurgical testing, the role of the mineralogist is to assist in solving problems with regard to (a) sampling, (b) gold occurrences, and (c) petrologic classifications of host rocks. The presence of "coarse" gold as a sampling problem can be overcome by various methods, including "screen fire assays," screened analyses and special gravity techniques which may be used to determine distributions of "coarse" versus fine gold. Determinations of mineralogic associations of gold usually require special separation techniques, accompanied by fire-AA-mineralogic assays of the products. After accurate mineralogic analyses are obtained for various products, quantitative distributions of refractory gold associations can be calculated by the use of simultaneous equations. Petrologic classifications are required by the geologist for mapping and interpretation of the various rocks. After the petrology and mineralogic differences of the rock units are determined, x-ray diffraction analyses of analytical pulps can be used for lithologic logging of drill cores. XRD logging is an efficient method for correlating lithologic units and alteration trends throughout a gold prospect.

Jan 1, 1981

By Brian P. Atkin

The NISOMI-81 opaque mineral searcil and identification system uses quantitative color values (Pe, dA, y) and VHN as its determinative para-meters. The system is designed to operate on a Radio-Shack TRS-80 micro-computer which is interfaced to a motorised diffraction grating mono-chromator (WILSCAN). Using an interfaced monochromator/photometer combination a typical identification including the measurement of the photometer data on both specimen and standard, calculation of color values and a computer search takes about 6 minutes. The data file contains 240 minerals at present but can easily be expanded as reliable new data become available.

Jan 1, 1982